2-methoxy-5-[3-oxidanylidene-3-[(phenylmethyl)amino]-2-[(phenylmethyl)carbamoyl]prop-1-enyl]benzoic acid

Systemtic Name: 2-methoxy-5-[3-oxidanylidene-3-[(phenylmethyl)amino]-2-[(phenylmethyl)carbamoyl]prop-1-enyl]benzoic acid Openeye Name: 5-[3-(benzylamino)-2-(benzylcarbamoyl)-3-oxo-prop-1-enyl]-2-methoxy-benzoic acid CAS Name: 2-methoxy-5-[3-oxo-2-[oxo-[(phenylmethyl)amino]methyl]-3-[(phenylmethyl)amino]prop-1-enyl]benzoic acid IUPAC Name: 5-[3-(benzylamino)-2-(benzylcarbamoyl)-3-oxoprop-1-enyl]-2-methoxybenzoic acid Traditional Name: 5-[3-(benzylamino)-2-(benzylcarbamoyl)-3-keto-prop-1-enyl]-2-methoxy-benzoic acid Formula: C26H24N2O5 MolecularWeight: 444.47916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C(=O)NCC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C=C(C(=O)NCC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H24N2O5/c1-33-23-13-12-20(14-21(23)26(31)32)15-22(24(29)27-16-18-8-4-2-5-9-18)25(30)28-17-19-10-6-3-7-11-19/h2-15H,16-17H2,1H3,(H,27,29)(H,28,30)(H,31,32)